| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062261
BDB062261
|
BDBM50595942
O=C(O)c1ccc(/C=C\c2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cc[nH]c2)cc1
|
C23H14ClF3N2O3 458.823000 |
WYDKQIDQSWKBHJ-TWGQIWQCSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50595942; PubChem:CID168274141
|
Local ready
Direct docking supported
|
|
E3L062262
BDB062262
|
BDBM50595943
O=C(O)c1ccc(NCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cc[nH]c2)cc1F
|
C22H14ClF4N3O3 479.817000 |
HQYDIXGOMHKCKO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50595943; PubChem:CID154649063
|
Local ready
Direct docking supported
|
|
E3L062263
BDB062263
|
BDBM50595944
O=C(O)c1ccc(OCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cc[nH]c2)cc1F
|
C22H13ClF4N2O4 480.801000 |
WKGLEAWUJDYKCF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50595944; PubChem:CID155920530
|
Local ready
Direct docking supported
|
|
E3L062264
BDB062264
|
BDBM50595945
O=C(O)c1ccc(OCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2ccc[nH]2)cc1
|
C22H14ClF3N2O4 462.811000 |
RSKUYRRDRPIYIT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50595945; PubChem:CID155920529
|
Local ready
Direct docking supported
|
|
E3L062265
BDB062265
|
BDBM50595946
O=C(O)c1ccc(OCc2c(-c3c(Cl)cccc3C(F)(F)F)noc2-c2cn[nH]c2)cc1
|
C21H13ClF3N3O4 463.799000 |
OPIGXBQPAXXYLU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50595946; PubChem:CID155920531
|
Local ready
Direct docking supported
|
|
E3L062266
BDB062266
|
BDBM50595947
Cn1ccc(-c2onc(-c3c(Cl)cccc3C(F)(F)F)c2COc2ccc(C(=O)O)cc2)c1
|
C23H16ClF3N2O4 476.838000 |
XQSIJYWHJXLYDF-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50595947; PubChem:CID168273918
|
Local ready
Direct docking supported
|
|
E3L062267
BDB062267
|
BDBM50595948
Cc1cc(-c2onc(-c3c(Cl)cccc3C(F)(F)F)c2COc2ccc(C(=O)O)cc2)c[nH]1
|
C23H16ClF3N2O4 476.838000 |
JDFATUNMJYTOGA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50595948; PubChem:CID168296008
|
Local ready
Direct docking supported
|
|
E3L062268
BDB062268
|
BDBM50595996
CCN(CC)Cc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1
|
C22H24FN3O 365.452000 |
IFVPMPLYZAFFCS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50595996; PubChem:CID168294369
|
Local ready
Direct docking supported
|
|
E3L062269
BDB062269
|
BDBM50595997
CC(=O)N1CCN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)CC1
|
C24H25FN4O2 420.488000 |
AEUHXAJXFXCXEC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50595997; PubChem:CID168282946
|
Local ready
Direct docking supported
|
|
E3L062270
BDB062270
|
BDBM50595998
O=C1NCCc2c(-c3ccc(CN4CCN(CCO)CC4)cc3)[nH]c3cc(F)cc1c23
|
C24H27FN4O2 422.504000 |
QTBPBWJIVQWNSL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50595998; PubChem:CID168274891
|
Local ready
Direct docking supported
|
|
E3L062271
BDB062271
|
BDBM50595999
C[C@@H]1CN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)CCN1
|
C23H25FN4O 392.478000 |
ORXLIHVWCSCXBW-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50595999; PubChem:CID168293264
|
Local ready
Direct docking supported
|
|
E3L062272
BDB062272
|
BDBM50596000
NC1CCN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)CC1
|
C23H25FN4O 392.478000 |
VONMSJQAKXAFNE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596000; PubChem:CID168206990
|
Local ready
Direct docking supported
|
|
E3L062273
BDB062273
|
BDBM50596001
CC(C)(C)OC(=O)NC1CCN(Cc2ccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)cc2)CC1
|
C28H33FN4O3 492.595000 |
KYKOIMZZEJVBFT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596001; PubChem:CID168206876
|
Local ready
Direct docking supported
|
|
E3L062274
BDB062274
|
BDBM50596002
O=C1NCCc2c(-c3ccc(CN4CCN(c5ncccn5)CC4)cc3)[nH]c3cc(F)cc1c23
|
C26H25FN6O 456.525000 |
XKOPYVMSQOJAFI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596002; PubChem:CID168268867
|
Local ready
Direct docking supported
|
|
E3L062275
BDB062275
|
Parp-1-IN-1
NC1CCN(Cc2cccc(-c3[nH]c4cc(F)cc5c4c3CCNC5=O)c2)CC1
|
C23H25FN4O 392.478000 |
FNXYFOFBZPBUFN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596003; PubChem:CID163196410
|
Local ready
Direct docking supported
|
|
E3L062276
BDB062276
|
BDBM50596254
Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c([C@]2(C)CS(=O)(=O)[C@@](C)(C(F)F)C(=N)N2)n1
|
C20H19F3N6O3S 480.472000 |
IWBMTMOXRFICLO-PMACEKPBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50596254; PubChem:CID168290037
|
Local ready
Direct docking supported
|
|
E3L062277
BDB062277
|
BDBM50596256
O=c1c(O)c(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(OS(=O)(=O)O)cc5)oc34)c2)oc2cc(O)cc(O)c12
|
C30H18O14S 634.527000 |
PYUUCJSZUWVXLT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596256; PubChem:CID168274436
|
Local ready
Direct docking supported
|
|
E3L062278
BDB062278
|
BDBM50596257
O=c1c(O)c(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(OS(=O)(=O)O)cc(O)c12
|
C30H18O14S 634.527000 |
XCSZYZCEEFKDOE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596257; PubChem:CID168287432
|
Local ready
Direct docking supported
|
|
E3L062279
BDB062279
|
BDBM50596258
O=c1c(O)c(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(OS(=O)(=O)O)cc5)oc34)c2)oc2cc(OS(=O)(=O)O)cc(O)c12
|
C30H18O17S2 714.591000 |
TZRIBXKAMPDYRW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50596258; PubChem:CID168269295
|
Local ready
Direct docking supported
|
|
E3L062280
BDB062280
|
BDBM50596499
O=C(O)Cc1cccc(OCCC2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1
|
C22H23ClN2O3S 430.957000 |
XGKJALQUHAMQNR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50596499; PubChem:CID57966372
|
Local ready
Direct docking supported
|